[3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol

C12H23NO2 — CID 79933476

IUPAC[3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
SMILESCC1(C)CC(CO)(NC2CC2)C(C)(C)O1
InChIInChI=1S/C12H23NO2/c1-10(2)7-12(8-14,11(3,4)15-10)13-9-5-6-9/h9,13-14H,5-8H2,1-4H3
InChIKeyGBOZAHPDVBFWTL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds3

About [3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol

[3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol (PubChem CID 79933476) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
PubChem CID79933476
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
SMILESCC1(C)CC(CO)(NC2CC2)C(C)(C)O1
InChIInChI=1S/C12H23NO2/c1-10(2)7-12(8-14,11(3,4)15-10)13-9-5-6-9/h9,13-14H,5-8H2,1-4H3
InChIKeyGBOZAHPDVBFWTL-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
The IUPAC name of [3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol (CID 79933476) is [3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol is CC1(C)CC(CO)(NC2CC2)C(C)(C)O1.
What is the InChIKey of [3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
The InChIKey is GBOZAHPDVBFWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)7-12(8-14,11(3,4)15-10)13-9-5-6-9/h9,13-14H,5-8H2,1-4H3.
What are the key properties of [3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
[3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol has a molecular weight of 213.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylamino)-2,2,5,5-tetramethyloxolan-3-yl]methanol is sourced from PubChem (CID 79933476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).